(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl-[2-(dimethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl-[2-(dimethylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-(dimethylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl-[2-(dimethylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H22BrN2O4+ MolecularWeight: 398.27158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+](C)CC(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+](C)CC(=O)N(C)C

InChI

InChI=1S/C17H21BrN2O4/c1-5-23-17(22)16-13(9-20(4)10-15(21)19(2)3)12-8-11(18)6-7-14(12)24-16/h6-8H,5,9-10H2,1-4H3/p+1